CAS 1159826-37-5

1,1-Dimethylethyl 3-[2,6-diamino-4-(trifluoromethyl)phenoxy]-1-pyrrolidinecarboxylate

Description:

1,1-Dimethylethyl 3-[2,6-diamino-4-(trifluoromethyl)phenoxy]-1-pyrrolidinecarboxylate, identified by its CAS number 1159826-37-5, is a chemical compound characterized by its complex structure, which includes a pyrrolidine ring and a trifluoromethyl-substituted phenoxy group. This compound typically exhibits properties associated with both amines and esters due to the presence of amino and carboxylate functional groups. It is likely to be a solid at room temperature, with potential applications in pharmaceuticals or agrochemicals, given the presence of the trifluoromethyl group, which can enhance biological activity and lipophilicity. The presence of multiple amino groups suggests potential for hydrogen bonding and reactivity, which may influence its solubility and stability in various solvents. Additionally, the dimethyl group may contribute to steric hindrance, affecting its interaction with biological targets. Overall, this compound's unique structural features may provide interesting avenues for research and application in medicinal chemistry or related fields.

Formula: C₁₆H₂₂F₃N₃O₃

InChI: InChI=1S/C16H22F3N3O3/c1-15(2,3)25-14(23)22-5-4-10(8-22)24-13-11(20)6-9(7-12(13)21)16(17,18)19/h6-7,10H,4-5,8,20-21H2,1-3H3

InChI key: InChIKey=VILONDWFCAFQMY-UHFFFAOYSA-N

SMILES: O(C1=C(N)C=C(C(F)(F)F)C=C1N)C2CN(C(OC(C)(C)C)=O)CC2

Synonyms:

• 1-Pyrrolidinecarboxylic acid, 3-[2,6-diamino-4-(trifluoromethyl)phenoxy]-, 1,1-dimethylethyl ester
• 1-Boc-3-(2,6-diamino-4-trifluoromethylphenoxy)pyrrolidine
• 1,1-Dimethylethyl 3-[2,6-diamino-4-(trifluoromethyl)phenoxy]-1-pyrrolidinecarboxylate